1-[4-(3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
1-[4-(3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V003-5509 |
| Compound Name: | 1-[4-(3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 563.72 |
| Molecular Formula: | C30 H37 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1cccc(CSc2nc(C)cc(n2)N(C)CCc2ccc(c(c2)OC)OC)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3364 |
| logD: | 3.3329 |
| logSw: | -3.4883 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.568 |
| InChI Key: | XQVAEHXHYGQOJW-UHFFFAOYSA-N |